2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid

C19H30O7 — CID 58711399

IUPAC2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid
SMILESC=C(C)C1CC(C(O)COC(=O)C(C)(C)CC)C(C(=O)O)C1CC(=O)O
InChIInChI=1S/C19H30O7/c1-6-19(4,5)18(25)26-9-14(20)13-7-11(10(2)3)12(8-15(21)22)16(13)17(23)24/h11-14,16,20H,2,6-9H2,1,3-5H3,(H,21,22)(H,23,24)
InChIKeyFCENNQVWUNSVCC-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.33
Rot. Bonds9

About 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid

2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid (PubChem CID 58711399) has the molecular formula C19H30O7 and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid
PubChem CID58711399
Molecular FormulaC19H30O7
Molecular Weight370.44 g/mol
Exact Mass370.20
IUPAC Name2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid
SMILESC=C(C)C1CC(C(O)COC(=O)C(C)(C)CC)C(C(=O)O)C1CC(=O)O
InChIInChI=1S/C19H30O7/c1-6-19(4,5)18(25)26-9-14(20)13-7-11(10(2)3)12(8-15(21)22)16(13)17(23)24/h11-14,16,20H,2,6-9H2,1,3-5H3,(H,21,22)(H,23,24)
InChIKeyFCENNQVWUNSVCC-UHFFFAOYSA-N
XLogP2.33
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylenecyclopentanecarboxylate
CID 539518
4-Hydroxybutyl 3-(1-hydroxy-2-methylprop-2-enyl)-2,2,3-trimethylcyclopentane-1-carboxylate
CID 169902523
5-Hydroxypentyl 3-(1-hydroxy-2-methylprop-2-enyl)-2,2,3-trimethylcyclopentane-1-carboxylate
CID 169902530

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid (CID 58711399) is 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid is C=C(C)C1CC(C(O)COC(=O)C(C)(C)CC)C(C(=O)O)C1CC(=O)O.
What is the InChIKey of 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is FCENNQVWUNSVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O7/c1-6-19(4,5)18(25)26-9-14(20)13-7-11(10(2)3)12(8-15(21)22)16(13)17(23)24/h11-14,16,20H,2,6-9H2,1,3-5H3,(H,21,22)(H,23,24).
What are the key properties of 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 370.44 g/mol, XLogP of 2.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 58711399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).